N-tert-butyl-N-[(2,3-difluorophenyl)methylideneamino]aniline

C17H18F2N2 — CID 172716107

IUPACN-tert-butyl-N-[(2,3-difluorophenyl)methylideneamino]aniline
SMILESCC(C)(C)N(N=Cc1cccc(F)c1F)c1ccccc1
InChIInChI=1S/C17H18F2N2/c1-17(2,3)21(14-9-5-4-6-10-14)20-12-13-8-7-11-15(18)16(13)19/h4-12H,1-3H3
InChIKeyFWPLRNDFXPBFQL-UHFFFAOYSA-N
MW288.34 g/mol
LogP4.60
Rot. Bonds3

About N-tert-butyl-N-[(2,3-difluorophenyl)methylideneamino]aniline

N-tert-butyl-N-[(2,3-difluorophenyl)methylideneamino]aniline (PubChem CID 172716107) has the molecular formula C17H18F2N2 and a molecular weight of 288.34 g/mol. Its IUPAC name is N-tert-butyl-N-[(2,3-difluorophenyl)methylideneamino]aniline.

Molecular Properties

Compound NameN-tert-butyl-N-[(2,3-difluorophenyl)methylideneamino]aniline
PubChem CID172716107
Molecular FormulaC17H18F2N2
Molecular Weight288.34 g/mol
Exact Mass288.14
IUPAC NameN-tert-butyl-N-[(2,3-difluorophenyl)methylideneamino]aniline
SMILESCC(C)(C)N(N=Cc1cccc(F)c1F)c1ccccc1
InChIInChI=1S/C17H18F2N2/c1-17(2,3)21(14-9-5-4-6-10-14)20-12-13-8-7-11-15(18)16(13)19/h4-12H,1-3H3
InChIKeyFWPLRNDFXPBFQL-UHFFFAOYSA-N
XLogP4.60
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-tert-butyl-N-[(2,3-difluorophenyl)methylideneamino]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-N-[(2,3-difluorophenyl)methylideneamino]aniline?
The IUPAC name of N-tert-butyl-N-[(2,3-difluorophenyl)methylideneamino]aniline (CID 172716107) is N-tert-butyl-N-[(2,3-difluorophenyl)methylideneamino]aniline.
What is the SMILES notation for N-tert-butyl-N-[(2,3-difluorophenyl)methylideneamino]aniline?
The canonical SMILES for N-tert-butyl-N-[(2,3-difluorophenyl)methylideneamino]aniline is CC(C)(C)N(N=Cc1cccc(F)c1F)c1ccccc1.
What is the InChIKey of N-tert-butyl-N-[(2,3-difluorophenyl)methylideneamino]aniline?
The InChIKey is FWPLRNDFXPBFQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N2/c1-17(2,3)21(14-9-5-4-6-10-14)20-12-13-8-7-11-15(18)16(13)19/h4-12H,1-3H3.
What are the key properties of N-tert-butyl-N-[(2,3-difluorophenyl)methylideneamino]aniline?
N-tert-butyl-N-[(2,3-difluorophenyl)methylideneamino]aniline has a molecular weight of 288.34 g/mol, XLogP of 4.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-N-[(2,3-difluorophenyl)methylideneamino]aniline is sourced from PubChem (CID 172716107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).